54 |
|
#include "minimizers/PRCG.hpp" |
55 |
|
#include "minimizers/SDMinimizer.hpp" |
56 |
|
#include "UseTheForce/DUFF.hpp" |
57 |
< |
#include "UseTheForce/EAM.hpp" |
57 |
> |
#include "UseTheForce/EAM_FF.hpp" |
58 |
|
#include "UseTheForce/ForceFieldFactory.hpp" |
59 |
|
#include "UseTheForce/ForceFieldCreator.hpp" |
60 |
+ |
#include "lattice/LatticeFactory.hpp" |
61 |
+ |
#include "lattice/LatticeCreator.hpp" |
62 |
+ |
#include "lattice/FCCLattice.hpp" |
63 |
|
|
64 |
|
namespace oopse { |
65 |
|
|
71 |
|
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("WATER")); |
72 |
|
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<DUFF>("LJ")); |
73 |
|
//in theory, EAM can also be merged |
74 |
< |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM>("EAM")); |
74 |
> |
ForceFieldFactory::getInstance()->registerForceField(new ForceFieldBuilder<EAM_FF>("EAM")); |
75 |
|
} |
76 |
|
|
77 |
|
void registerIntegrators() { |
87 |
|
MinimizerFactory::getInstance()->registerMinimizer(new MinimizerBuilder<PRCGMinimizer>("CG")); |
88 |
|
} |
89 |
|
|
90 |
+ |
void registerLattice(){ |
91 |
+ |
LatticeFactory::getInstance()->registerLattice(new LatticeBuilder<FCCLattice>("FCC")); |
92 |
+ |
} |
93 |
+ |
|
94 |
|
void registerAll() { |
95 |
|
registerForceFields(); |
96 |
|
registerIntegrators(); |